methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid

C20H32N4O4 — CID 90460893

IUPACmethyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid
SMILESCN(CCN(C)C(=O)O)Cc1cn(C2CCCCO2)nc1C1CCC(=O)CC1
InChIInChI=1S/C20H32N4O4/c1-22(10-11-23(2)20(26)27)13-16-14-24(18-5-3-4-12-28-18)21-19(16)15-6-8-17(25)9-7-15/h14-15,18H,3-13H2,1-2H3,(H,26,27)
InChIKeyAZXQUTGANRNKKL-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.85
Rot. Bonds7

About methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid

methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid (PubChem CID 90460893) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid
PubChem CID90460893
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Namemethyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid
SMILESCN(CCN(C)C(=O)O)Cc1cn(C2CCCCO2)nc1C1CCC(=O)CC1
InChIInChI=1S/C20H32N4O4/c1-22(10-11-23(2)20(26)27)13-16-14-24(18-5-3-4-12-28-18)21-19(16)15-6-8-17(25)9-7-15/h14-15,18H,3-13H2,1-2H3,(H,26,27)
InChIKeyAZXQUTGANRNKKL-UHFFFAOYSA-N
XLogP2.85
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid?
The IUPAC name of methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid (CID 90460893) is methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid?
The canonical SMILES for methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid is CN(CCN(C)C(=O)O)Cc1cn(C2CCCCO2)nc1C1CCC(=O)CC1.
What is the InChIKey of methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid?
The InChIKey is AZXQUTGANRNKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-22(10-11-23(2)20(26)27)13-16-14-24(18-5-3-4-12-28-18)21-19(16)15-6-8-17(25)9-7-15/h14-15,18H,3-13H2,1-2H3,(H,26,27).
What are the key properties of methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid?
methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid has a molecular weight of 392.50 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid is sourced from PubChem (CID 90460893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).